MassBank Record: KZ000252



 Nonadecanoic acid methyl ester; GC-EI-TOF; MS; 0 TMS; BP:74 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000252
RECORD_TITLE: Nonadecanoic acid methyl ester; GC-EI-TOF; MS; 0 TMS; BP:74
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_04318_P000027

CH$NAME: Nonadecanoic acid methyl ester CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C20H40O2 CH$EXACT_MASS: 312.30283 CH$SMILES: CCCCCCCCCCCCCCCCCCC(=O)OC CH$IUPAC: InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-2/h3-19H2,1-2H3 CH$LINK: CAS 1731-94-8 CH$LINK: INCHIKEY BDXAHSJUDUZLDU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40169524
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies AC$INSTRUMENT_TYPE: GC-EI-TOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME DB-17MS AC$CHROMATOGRAPHY: RETENTION_INDEX 0.0000 AC$CHROMATOGRAPHY: RETENTION_TIME 822.205 sec
MS$FOCUSED_ION: BASE_PEAK 74 MS$FOCUSED_ION: DERIVATIVE_TYPE 0 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-05g3-9100000000-21def654a21d7270f3da PK$NUM_PEAK: 130 PK$PEAK: m/z int. rel.int. 37 1 1 38 4 4 39 48 48 40 10 10 41 364 364 42 98 98 43 471 471 44 2 2 45 4 4 47 1 1 52 1 1 53 19 19 54 25 25 55 293 293 56 78 78 57 213 213 58 12 12 59 55 55 61 2 2 65 1 1 66 6 6 67 61 61 68 11 11 69 142 142 70 30 30 71 82 82 72 6 6 73 38 38 74 999 999 75 160 160 76 2 2 77 6 6 78 1 1 79 16 16 80 2 2 81 25 25 82 17 17 83 149 149 84 42 42 85 56 56 86 3 3 87 645 645 88 46 46 89 5 5 91 2 2 92 1 1 93 7 7 94 1 1 95 34 34 96 11 11 97 80 80 98 35 35 99 12 12 100 5 5 101 66 66 102 6 6 105 2 2 107 5 5 109 16 16 110 6 6 111 28 28 112 9 9 113 4 4 115 15 15 116 11 11 120 1 1 121 5 5 123 5 5 124 4 4 125 10 10 126 1 1 127 1 1 129 42 42 130 6 6 135 6 6 136 1 1 137 3 3 138 3 3 139 6 6 141 1 1 143 110 110 144 13 13 149 2 2 151 1 1 152 3 3 153 3 3 154 1 1 155 1 1 157 17 17 158 7 7 159 1 1 163 2 2 164 1 1 168 1 1 171 11 11 172 1 1 177 1 1 181 1 1 183 1 1 185 20 20 186 1 1 196 1 1 199 30 30 200 1 1 205 1 1 211 1 1 213 36 36 214 1 1 222 1 1 223 1 1 227 16 16 230 1 1 237 2 2 238 2 2 241 5 5 255 8 8 256 1 1 257 1 1 268 1 1 269 28 28 270 7 7 271 2 2 272 1 1 281 12 12 282 4 4 283 2 2 311 6 6 312 92 92 313 17 17 314 2 2 //

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